SCHEMBL17687802

SCHEMBL17687802

CN1CCCC(Oc2cccc(-c3cccc(C=O)c3)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 8/20 0.47
▸ ADORA2A P29274 1/20 0.42
▸ PIM1 P11309 2/20 0.40
▸ PIM2 Q9P1W9 2/20 0.40
▸ CHRM2 P08172 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD5 P21918 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ IL1B P01584 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19471860 0.96 FFAR4 (0.44) FFAR4ADORA2ASLC6A2SLC6A4KCNH2
SCHEMBL17687988 0.96 FFAR4 (0.44) FFAR4ADORA2ASLC6A2SLC6A4KCNH2
SCHEMBL19471785 0.96 FFAR4 (0.44) FFAR4ADORA2ASLC6A2SLC6A4KCNH2
SCHEMBL17687955 0.90 FFAR4 (0.45) FFAR4ADORA2APIM1PIM2SLC6A2
SCHEMBL17687826 0.90 SLC6A2 (0.41) FFAR4PIM1PIM2SLC6A2SLC6A4
SCHEMBL17687792 0.84 BTK (0.41) FFAR4PIM1SLC6A2SLC6A4KCNH2
SCHEMBL17687849 0.83 ADORA2A (0.42) FFAR4ADORA2ASLC6A2SLC6A4KCNH2
SCHEMBL17687828 0.83 ADORA2A (0.43) FFAR4ADORA2ASLC6A2SLC6A4KCNH2
SCHEMBL17687900 0.82 ADORA2A (0.40) FFAR4ADORA2ADRD2DRD1DRD4
SCHEMBL19471458 0.82 ADORA2A (0.40) FFAR4ADORA2ADRD2DRD1DRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3207042-B1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-03 — — EP disclosed
US-9850256-B2 Antibacterial basic biaromatic derivatives with aminoalkoxy substitution IDORSIA PHARMACEUTICALS LTD (CH) 2017-12-26 — — US disclosed
US-20170305927-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 — — US disclosed
EP-3207042-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION Idorsia Pharmaceuticals Ltd (CH) 2017-08-23 — — EP disclosed
WO-2016059097-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION ACTELION PHARMACEUTICALS LTD (CH) 2016-04-21 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170305927-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION RPSA, RPL4, RPS4Y1 FFAR4 912/4885ADORA2A 763/4885PIM1 4060/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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